(8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid

C16H22N2O3 — CID 130335288

IUPAC(8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid
SMILESCO/C(CCCCCCC(=O)O)=N\N=C\c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-21-15(11-7-2-3-8-12-16(19)20)18-17-13-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,20)/b17-13+,18-15-
InChIKeyNOVUPWKMVKWXJN-AYELKNGRSA-N
MW290.36 g/mol
LogP3.49
Rot. Bonds9

About (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid

(8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid (PubChem CID 130335288) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid.

Molecular Properties

Compound Name(8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid
PubChem CID130335288
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid
SMILESCO/C(CCCCCCC(=O)O)=N\N=C\c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-21-15(11-7-2-3-8-12-16(19)20)18-17-13-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,20)/b17-13+,18-15-
InChIKeyNOVUPWKMVKWXJN-AYELKNGRSA-N
XLogP3.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(benzylideneamino)hexanoate
CID 11020797
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
7-[(2E)-2-[(2,6-dimethoxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23836163
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
methyl 2-(benzylideneamino)acetate
CID 132550307
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
44-anilino-44-oxotetratetracontanoic acid
CID 152661091

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid?
The IUPAC name of (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid (CID 130335288) is (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid.
What is the SMILES notation for (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid?
The canonical SMILES for (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid is CO/C(CCCCCCC(=O)O)=N\N=C\c1ccccc1.
What is the InChIKey of (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid?
The InChIKey is NOVUPWKMVKWXJN-AYELKNGRSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15(11-7-2-3-8-12-16(19)20)18-17-13-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,20)/b17-13+,18-15-.
What are the key properties of (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid?
(8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-[(E)-benzylidenehydrazinylidene]-8-methoxyoctanoic acid is sourced from PubChem (CID 130335288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).